SCHEMBL2224704

SCHEMBL2224704

CC1(C)CCC(C)(C)c2cc(-c3csc(N4CCC(N5CCOCC5)CC4)n3)ccc21

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AR P10275 8/20 0.51
NPC1 O15118 6/20 0.51
RAB9A P51151 6/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
MAPT P10636 3/20 0.51
CTSB P07858 2/20 0.50
CTSS P25774 2/20 0.50
CTSL P07711 1/20 0.50
MAPK1 P28482 3/20 0.48
LMNA P02545 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
PTPN1 P18031 1/20 0.44
PTPN6 P29350 1/20 0.44
CDC25A P30304 1/20 0.44
IRAK4 Q9NWZ3 1/20 0.42
HTT P42858 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2224786 0.89 PTPN1 (0.44) ARNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL12517116 0.88 PTPN1 (0.44) ARNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL2222295 0.84 PTPN1 (0.45) NPC1RAB9ASMN1; SMN2MAPTCTSB
SCHEMBL2225845 0.84 PTPN1 (0.49) ARNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL2222551 0.84 PTPN1 (0.44) ARNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL2222167 0.84 CTSB (0.42) NPC1RAB9ASMN1; SMN2MAPTCTSB
SCHEMBL2226342 0.83 PTPN1 (0.51) ARNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL12805369 0.82 CTSL (0.43) NPC1RAB9ASMN1; SMN2MAPTCTSB
Hydrochloric Acid SCHEMBL12806085 0.82 PTPN1 (0.50) ARNPC1RAB9ASMN1; SMN2MAPT
Bromide SCHEMBL12805772 0.82 PTPN1 (0.50) ARNPC1RAB9ASMN1; SMN2MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8907098-B2 Inhibitors of sphingosine kinase MERCK PATENT GMBH (DE) 2014-12-09 US disclosed
US-8907098-B2 Inhibitors of sphingosine kinase MERCK PATENT GMBH (DE) 2014-12-09 US disclosed
US-8907098-B2 Inhibitors of sphingosine kinase MERCK PATENT GMBH (DE) 2014-12-09 US disclosed
EP-2513066-A1 SPHINGOSINE KINASE INHIBITORS Merck Patent GmbH (DE) 2012-10-24 EP disclosed
US-20120252815-A1 INHIBITORS OF SPHINGOSINE KINASE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-10-04 US disclosed
US-20120252815-A1 INHIBITORS OF SPHINGOSINE KINASE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-10-04 US disclosed
US-20120252815-A1 INHIBITORS OF SPHINGOSINE KINASE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-10-04 US disclosed
WO-2011082732-A1 SPHINGOSINE KINASE INHIBITORS MERCK PATENT GMBH (DE) 2011-07-14 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120252815-A1 INHIBITORS OF SPHINGOSINE KINASE SPHK1, S1PR3, SPHK2 AR 2832/4885NPC1 818/4885RAB9A 1129/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.